################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6370 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 COSY 1 $sample_1 . 6370 1 2 TOCSY 1 $sample_1 . 6370 1 3 NOESY 1 $sample_1 . 6370 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.663 0.000 . . . . . . . . . . . 6370 1 2 . 1 1 2 2 THR HA H 1 4.241 0.000 . . . . . . . . . . . 6370 1 3 . 1 1 2 2 THR HB H 1 4.022 0.005 . . . . . . . . . . . 6370 1 4 . 1 1 2 2 THR HG21 H 1 0.973 0.002 . . . . . . . . . . . 6370 1 5 . 1 1 2 2 THR HG22 H 1 0.973 0.002 . . . . . . . . . . . 6370 1 6 . 1 1 2 2 THR HG23 H 1 0.973 0.002 . . . . . . . . . . . 6370 1 7 . 1 1 3 3 THR H H 1 8.149 0.000 . . . . . . . . . . . 6370 1 8 . 1 1 3 3 THR HA H 1 4.274 0.001 . . . . . . . . . . . 6370 1 9 . 1 1 3 3 THR HB H 1 3.786 0.000 . . . . . . . . . . . 6370 1 10 . 1 1 3 3 THR HG21 H 1 0.881 0.002 . . . . . . . . . . . 6370 1 11 . 1 1 3 3 THR HG22 H 1 0.881 0.002 . . . . . . . . . . . 6370 1 12 . 1 1 3 3 THR HG23 H 1 0.881 0.002 . . . . . . . . . . . 6370 1 13 . 1 1 4 4 CYS H H 1 7.637 0.000 . . . . . . . . . . . 6370 1 14 . 1 1 4 4 CYS HA H 1 4.162 0.000 . . . . . . . . . . . 6370 1 15 . 1 1 4 4 CYS HB2 H 1 1.251 0.001 . . . . . . . . . . . 6370 1 16 . 1 1 4 4 CYS HB3 H 1 2.048 0.000 . . . . . . . . . . . 6370 1 17 . 1 1 5 5 TYR H H 1 6.738 0.000 . . . . . . . . . . . 6370 1 18 . 1 1 5 5 TYR HA H 1 4.804 0.000 . . . . . . . . . . . 6370 1 19 . 1 1 5 5 TYR HB2 H 1 2.350 0.001 . . . . . . . . . . . 6370 1 20 . 1 1 5 5 TYR HB3 H 1 2.675 0.000 . . . . . . . . . . . 6370 1 21 . 1 1 5 5 TYR HD1 H 1 6.556 0.003 . . . . . . . . . . . 6370 1 22 . 1 1 5 5 TYR HE1 H 1 6.391 0.001 . . . . . . . . . . . 6370 1 23 . 1 1 6 6 CYS H H 1 8.452 0.000 . . . . . . . . . . . 6370 1 24 . 1 1 6 6 CYS HA H 1 4.722 0.000 . . . . . . . . . . . 6370 1 25 . 1 1 6 6 CYS HB2 H 1 1.952 0.002 . . . . . . . . . . . 6370 1 26 . 1 1 6 6 CYS HB3 H 1 3.023 0.001 . . . . . . . . . . . 6370 1 27 . 1 1 7 7 GLY H H 1 8.799 0.000 . . . . . . . . . . . 6370 1 28 . 1 1 7 7 GLY HA2 H 1 3.351 0.000 . . . . . . . . . . . 6370 1 29 . 1 1 7 7 GLY HA3 H 1 3.766 0.000 . . . . . . . . . . . 6370 1 30 . 1 1 8 8 LYS H H 1 8.666 0.000 . . . . . . . . . . . 6370 1 31 . 1 1 8 8 LYS HA H 1 4.062 0.001 . . . . . . . . . . . 6370 1 32 . 1 1 8 8 LYS HB2 H 1 1.445 0.000 . . . . . . . . . . . 6370 1 33 . 1 1 8 8 LYS HB3 H 1 1.742 0.000 . . . . . . . . . . . 6370 1 34 . 1 1 8 8 LYS HG2 H 1 1.133 0.000 . . . . . . . . . . . 6370 1 35 . 1 1 8 8 LYS HG3 H 1 1.180 0.000 . . . . . . . . . . . 6370 1 36 . 1 1 8 8 LYS HD2 H 1 1.366 0.000 . . . . . . . . . . . 6370 1 37 . 1 1 8 8 LYS HE2 H 1 2.698 0.000 . . . . . . . . . . . 6370 1 38 . 1 1 8 8 LYS HZ1 H 1 7.283 0.000 . . . . . . . . . . . 6370 1 39 . 1 1 8 8 LYS HZ2 H 1 7.283 0.000 . . . . . . . . . . . 6370 1 40 . 1 1 8 8 LYS HZ3 H 1 7.283 0.000 . . . . . . . . . . . 6370 1 41 . 1 1 9 9 THR H H 1 7.820 0.000 . . . . . . . . . . . 6370 1 42 . 1 1 9 9 THR HA H 1 3.766 0.005 . . . . . . . . . . . 6370 1 43 . 1 1 9 9 THR HB H 1 3.365 0.000 . . . . . . . . . . . 6370 1 44 . 1 1 9 9 THR HG21 H 1 0.274 0.001 . . . . . . . . . . . 6370 1 45 . 1 1 9 9 THR HG22 H 1 0.274 0.001 . . . . . . . . . . . 6370 1 46 . 1 1 9 9 THR HG23 H 1 0.274 0.001 . . . . . . . . . . . 6370 1 47 . 1 1 10 10 ILE H H 1 8.091 0.000 . . . . . . . . . . . 6370 1 48 . 1 1 10 10 ILE HA H 1 3.511 0.002 . . . . . . . . . . . 6370 1 49 . 1 1 10 10 ILE HB H 1 1.304 0.000 . . . . . . . . . . . 6370 1 50 . 1 1 10 10 ILE HG21 H 1 0.625 0.002 . . . . . . . . . . . 6370 1 51 . 1 1 10 10 ILE HG22 H 1 0.625 0.002 . . . . . . . . . . . 6370 1 52 . 1 1 10 10 ILE HG23 H 1 0.625 0.002 . . . . . . . . . . . 6370 1 53 . 1 1 10 10 ILE HG12 H 1 0.800 0.005 . . . . . . . . . . . 6370 1 54 . 1 1 10 10 ILE HD11 H 1 0.967 0.007 . . . . . . . . . . . 6370 1 55 . 1 1 10 10 ILE HD12 H 1 0.967 0.007 . . . . . . . . . . . 6370 1 56 . 1 1 10 10 ILE HD13 H 1 0.967 0.007 . . . . . . . . . . . 6370 1 57 . 1 1 11 11 GLY H H 1 8.011 0.000 . . . . . . . . . . . 6370 1 58 . 1 1 11 11 GLY HA2 H 1 3.185 0.002 . . . . . . . . . . . 6370 1 59 . 1 1 11 11 GLY HA3 H 1 4.334 0.006 . . . . . . . . . . . 6370 1 60 . 1 1 12 12 ILE H H 1 8.858 0.000 . . . . . . . . . . . 6370 1 61 . 1 1 12 12 ILE HA H 1 4.476 0.001 . . . . . . . . . . . 6370 1 62 . 1 1 12 12 ILE HB H 1 1.589 0.003 . . . . . . . . . . . 6370 1 63 . 1 1 12 12 ILE HG21 H 1 0.966 0.003 . . . . . . . . . . . 6370 1 64 . 1 1 12 12 ILE HG22 H 1 0.966 0.003 . . . . . . . . . . . 6370 1 65 . 1 1 12 12 ILE HG23 H 1 0.966 0.003 . . . . . . . . . . . 6370 1 66 . 1 1 12 12 ILE HG12 H 1 1.378 0.001 . . . . . . . . . . . 6370 1 67 . 1 1 12 12 ILE HD11 H 1 0.571 0.006 . . . . . . . . . . . 6370 1 68 . 1 1 12 12 ILE HD12 H 1 0.571 0.006 . . . . . . . . . . . 6370 1 69 . 1 1 12 12 ILE HD13 H 1 0.571 0.006 . . . . . . . . . . . 6370 1 70 . 1 1 13 13 TYR H H 1 8.065 0.001 . . . . . . . . . . . 6370 1 71 . 1 1 13 13 TYR HA H 1 4.846 0.000 . . . . . . . . . . . 6370 1 72 . 1 1 13 13 TYR HB2 H 1 2.105 0.000 . . . . . . . . . . . 6370 1 73 . 1 1 13 13 TYR HB3 H 1 2.319 0.000 . . . . . . . . . . . 6370 1 74 . 1 1 13 13 TYR HD1 H 1 6.740 0.000 . . . . . . . . . . . 6370 1 75 . 1 1 13 13 TYR HE1 H 1 6.788 0.001 . . . . . . . . . . . 6370 1 76 . 1 1 14 14 TRP H H 1 8.834 0.000 . . . . . . . . . . . 6370 1 77 . 1 1 14 14 TRP HA H 1 4.038 0.000 . . . . . . . . . . . 6370 1 78 . 1 1 14 14 TRP HB2 H 1 2.487 0.000 . . . . . . . . . . . 6370 1 79 . 1 1 14 14 TRP HB3 H 1 2.748 0.000 . . . . . . . . . . . 6370 1 80 . 1 1 14 14 TRP HD1 H 1 6.629 0.001 . . . . . . . . . . . 6370 1 81 . 1 1 14 14 TRP HE3 H 1 7.561 0.000 . . . . . . . . . . . 6370 1 82 . 1 1 14 14 TRP HE1 H 1 9.074 0.000 . . . . . . . . . . . 6370 1 83 . 1 1 14 14 TRP HZ2 H 1 7.373 0.005 . . . . . . . . . . . 6370 1 84 . 1 1 14 14 TRP HH2 H 1 6.429 0.001 . . . . . . . . . . . 6370 1 85 . 1 1 15 15 PHE H H 1 7.993 0.000 . . . . . . . . . . . 6370 1 86 . 1 1 15 15 PHE HA H 1 3.868 0.001 . . . . . . . . . . . 6370 1 87 . 1 1 15 15 PHE HB2 H 1 2.476 0.000 . . . . . . . . . . . 6370 1 88 . 1 1 15 15 PHE HB3 H 1 2.852 0.000 . . . . . . . . . . . 6370 1 89 . 1 1 15 15 PHE HD1 H 1 7.014 0.001 . . . . . . . . . . . 6370 1 90 . 1 1 15 15 PHE HE1 H 1 7.144 0.000 . . . . . . . . . . . 6370 1 91 . 1 1 16 16 GLY H H 1 7.967 0.000 . . . . . . . . . . . 6370 1 92 . 1 1 16 16 GLY HA2 H 1 3.032 0.000 . . . . . . . . . . . 6370 1 93 . 1 1 16 16 GLY HA3 H 1 3.113 0.000 . . . . . . . . . . . 6370 1 94 . 1 1 17 17 THR H H 1 6.859 0.002 . . . . . . . . . . . 6370 1 95 . 1 1 17 17 THR HA H 1 4.383 0.001 . . . . . . . . . . . 6370 1 96 . 1 1 17 17 THR HB H 1 3.759 0.000 . . . . . . . . . . . 6370 1 97 . 1 1 17 17 THR HG21 H 1 0.750 0.003 . . . . . . . . . . . 6370 1 98 . 1 1 17 17 THR HG22 H 1 0.750 0.003 . . . . . . . . . . . 6370 1 99 . 1 1 17 17 THR HG23 H 1 0.750 0.003 . . . . . . . . . . . 6370 1 100 . 1 1 18 18 LYS H H 1 8.044 0.000 . . . . . . . . . . . 6370 1 101 . 1 1 18 18 LYS HA H 1 4.135 0.002 . . . . . . . . . . . 6370 1 102 . 1 1 18 18 LYS HB2 H 1 1.386 0.005 . . . . . . . . . . . 6370 1 103 . 1 1 18 18 LYS HB3 H 1 1.688 0.000 . . . . . . . . . . . 6370 1 104 . 1 1 18 18 LYS HD2 H 1 1.069 0.000 . . . . . . . . . . . 6370 1 105 . 1 1 18 18 LYS HD3 H 1 1.157 0.000 . . . . . . . . . . . 6370 1 106 . 1 1 18 18 LYS HE2 H 1 2.672 0.000 . . . . . . . . . . . 6370 1 107 . 1 1 18 18 LYS HZ1 H 1 7.330 0.000 . . . . . . . . . . . 6370 1 108 . 1 1 18 18 LYS HZ2 H 1 7.330 0.000 . . . . . . . . . . . 6370 1 109 . 1 1 18 18 LYS HZ3 H 1 7.330 0.000 . . . . . . . . . . . 6370 1 110 . 1 1 19 19 THR H H 1 7.610 0.000 . . . . . . . . . . . 6370 1 111 . 1 1 19 19 THR HA H 1 4.061 0.001 . . . . . . . . . . . 6370 1 112 . 1 1 19 19 THR HB H 1 3.486 0.000 . . . . . . . . . . . 6370 1 113 . 1 1 19 19 THR HG21 H 1 0.782 0.000 . . . . . . . . . . . 6370 1 114 . 1 1 19 19 THR HG22 H 1 0.782 0.000 . . . . . . . . . . . 6370 1 115 . 1 1 19 19 THR HG23 H 1 0.782 0.000 . . . . . . . . . . . 6370 1 116 . 1 1 20 20 CYS H H 1 8.665 0.001 . . . . . . . . . . . 6370 1 117 . 1 1 20 20 CYS HA H 1 3.713 0.003 . . . . . . . . . . . 6370 1 118 . 1 1 20 20 CYS HB2 H 1 2.433 0.000 . . . . . . . . . . . 6370 1 119 . 1 1 20 20 CYS HB3 H 1 2.531 0.000 . . . . . . . . . . . 6370 1 120 . 1 1 21 21 PRO HA H 1 3.871 0.000 . . . . . . . . . . . 6370 1 121 . 1 1 21 21 PRO HB2 H 1 1.132 0.003 . . . . . . . . . . . 6370 1 122 . 1 1 21 21 PRO HB3 H 1 1.738 0.000 . . . . . . . . . . . 6370 1 123 . 1 1 21 21 PRO HG2 H 1 0.045 0.001 . . . . . . . . . . . 6370 1 124 . 1 1 21 21 PRO HG3 H 1 0.564 0.005 . . . . . . . . . . . 6370 1 125 . 1 1 21 21 PRO HD2 H 1 2.308 0.003 . . . . . . . . . . . 6370 1 126 . 1 1 21 21 PRO HD3 H 1 2.513 0.002 . . . . . . . . . . . 6370 1 127 . 1 1 22 22 SER H H 1 8.158 0.000 . . . . . . . . . . . 6370 1 128 . 1 1 22 22 SER HA H 1 4.016 0.000 . . . . . . . . . . . 6370 1 129 . 1 1 22 22 SER HB2 H 1 3.572 0.001 . . . . . . . . . . . 6370 1 130 . 1 1 23 23 ASN H H 1 8.624 0.000 . . . . . . . . . . . 6370 1 131 . 1 1 23 23 ASN HA H 1 4.195 0.001 . . . . . . . . . . . 6370 1 132 . 1 1 23 23 ASN HB2 H 1 2.595 0.003 . . . . . . . . . . . 6370 1 133 . 1 1 23 23 ASN HB3 H 1 2.671 0.004 . . . . . . . . . . . 6370 1 134 . 1 1 23 23 ASN HD21 H 1 6.926 0.000 . . . . . . . . . . . 6370 1 135 . 1 1 23 23 ASN HD22 H 1 6.430 0.000 . . . . . . . . . . . 6370 1 136 . 1 1 24 24 ARG H H 1 8.458 0.001 . . . . . . . . . . . 6370 1 137 . 1 1 24 24 ARG HA H 1 4.112 0.000 . . . . . . . . . . . 6370 1 138 . 1 1 24 24 ARG HB2 H 1 1.116 0.001 . . . . . . . . . . . 6370 1 139 . 1 1 24 24 ARG HB3 H 1 1.204 0.001 . . . . . . . . . . . 6370 1 140 . 1 1 24 24 ARG HG2 H 1 0.378 0.000 . . . . . . . . . . . 6370 1 141 . 1 1 24 24 ARG HD2 H 1 2.767 0.001 . . . . . . . . . . . 6370 1 142 . 1 1 24 24 ARG HD3 H 1 2.972 0.001 . . . . . . . . . . . 6370 1 143 . 1 1 24 24 ARG HE H 1 7.231 0.000 . . . . . . . . . . . 6370 1 144 . 1 1 25 25 GLY H H 1 8.172 0.004 . . . . . . . . . . . 6370 1 145 . 1 1 25 25 GLY HA2 H 1 3.243 0.000 . . . . . . . . . . . 6370 1 146 . 1 1 25 25 GLY HA3 H 1 3.644 0.000 . . . . . . . . . . . 6370 1 147 . 1 1 26 26 TYR H H 1 7.284 0.000 . . . . . . . . . . . 6370 1 148 . 1 1 26 26 TYR HA H 1 4.489 0.000 . . . . . . . . . . . 6370 1 149 . 1 1 26 26 TYR HB2 H 1 2.450 0.000 . . . . . . . . . . . 6370 1 150 . 1 1 26 26 TYR HB3 H 1 2.875 0.000 . . . . . . . . . . . 6370 1 151 . 1 1 26 26 TYR HD1 H 1 6.918 0.000 . . . . . . . . . . . 6370 1 152 . 1 1 27 27 THR H H 1 9.558 0.000 . . . . . . . . . . . 6370 1 153 . 1 1 27 27 THR HA H 1 4.284 0.000 . . . . . . . . . . . 6370 1 154 . 1 1 27 27 THR HG21 H 1 0.950 0.000 . . . . . . . . . . . 6370 1 155 . 1 1 27 27 THR HG22 H 1 0.950 0.000 . . . . . . . . . . . 6370 1 156 . 1 1 27 27 THR HG23 H 1 0.950 0.000 . . . . . . . . . . . 6370 1 157 . 1 1 28 28 GLY H H 1 7.456 0.000 . . . . . . . . . . . 6370 1 158 . 1 1 28 28 GLY HA2 H 1 3.020 0.000 . . . . . . . . . . . 6370 1 159 . 1 1 28 28 GLY HA3 H 1 3.855 0.002 . . . . . . . . . . . 6370 1 160 . 1 1 29 29 SER H H 1 7.762 0.000 . . . . . . . . . . . 6370 1 161 . 1 1 29 29 SER HA H 1 5.200 0.000 . . . . . . . . . . . 6370 1 162 . 1 1 29 29 SER HB2 H 1 3.355 0.001 . . . . . . . . . . . 6370 1 163 . 1 1 29 29 SER HB3 H 1 3.820 0.001 . . . . . . . . . . . 6370 1 164 . 1 1 30 30 CYS H H 1 8.695 0.000 . . . . . . . . . . . 6370 1 165 . 1 1 30 30 CYS HA H 1 4.891 0.000 . . . . . . . . . . . 6370 1 166 . 1 1 30 30 CYS HB2 H 1 3.157 0.000 . . . . . . . . . . . 6370 1 167 . 1 1 30 30 CYS HB3 H 1 3.235 0.000 . . . . . . . . . . . 6370 1 168 . 1 1 31 31 GLY H H 1 8.673 0.000 . . . . . . . . . . . 6370 1 169 . 1 1 31 31 GLY HA2 H 1 3.608 0.000 . . . . . . . . . . . 6370 1 170 . 1 1 31 31 GLY HA3 H 1 3.935 0.000 . . . . . . . . . . . 6370 1 171 . 1 1 32 32 TYR H H 1 7.732 0.000 . . . . . . . . . . . 6370 1 172 . 1 1 32 32 TYR HA H 1 4.241 0.000 . . . . . . . . . . . 6370 1 173 . 1 1 32 32 TYR HB2 H 1 2.512 0.000 . . . . . . . . . . . 6370 1 174 . 1 1 32 32 TYR HB3 H 1 2.691 0.000 . . . . . . . . . . . 6370 1 175 . 1 1 32 32 TYR HD1 H 1 6.872 0.002 . . . . . . . . . . . 6370 1 176 . 1 1 32 32 TYR HE1 H 1 6.507 0.001 . . . . . . . . . . . 6370 1 177 . 1 1 33 33 PHE H H 1 8.414 0.000 . . . . . . . . . . . 6370 1 178 . 1 1 33 33 PHE HA H 1 3.904 0.000 . . . . . . . . . . . 6370 1 179 . 1 1 33 33 PHE HB2 H 1 2.581 0.000 . . . . . . . . . . . 6370 1 180 . 1 1 33 33 PHE HB3 H 1 2.719 0.001 . . . . . . . . . . . 6370 1 181 . 1 1 33 33 PHE HD1 H 1 6.661 0.000 . . . . . . . . . . . 6370 1 182 . 1 1 33 33 PHE HE1 H 1 7.022 0.000 . . . . . . . . . . . 6370 1 183 . 1 1 34 34 LEU H H 1 7.828 0.000 . . . . . . . . . . . 6370 1 184 . 1 1 34 34 LEU HB2 H 1 1.594 0.000 . . . . . . . . . . . 6370 1 185 . 1 1 34 34 LEU HD11 H 1 0.488 0.000 . . . . . . . . . . . 6370 1 186 . 1 1 34 34 LEU HD12 H 1 0.488 0.000 . . . . . . . . . . . 6370 1 187 . 1 1 34 34 LEU HD13 H 1 0.488 0.000 . . . . . . . . . . . 6370 1 188 . 1 1 34 34 LEU HD21 H 1 0.640 0.000 . . . . . . . . . . . 6370 1 189 . 1 1 34 34 LEU HD22 H 1 0.640 0.000 . . . . . . . . . . . 6370 1 190 . 1 1 34 34 LEU HD23 H 1 0.640 0.000 . . . . . . . . . . . 6370 1 191 . 1 1 35 35 GLY H H 1 8.480 0.000 . . . . . . . . . . . 6370 1 192 . 1 1 35 35 GLY HA2 H 1 4.152 0.000 . . . . . . . . . . . 6370 1 193 . 1 1 35 35 GLY HA3 H 1 4.232 0.000 . . . . . . . . . . . 6370 1 194 . 1 1 36 36 ILE H H 1 8.535 0.000 . . . . . . . . . . . 6370 1 195 . 1 1 36 36 ILE HA H 1 4.864 0.000 . . . . . . . . . . . 6370 1 196 . 1 1 36 36 ILE HB H 1 1.492 0.002 . . . . . . . . . . . 6370 1 197 . 1 1 36 36 ILE HG21 H 1 0.600 0.004 . . . . . . . . . . . 6370 1 198 . 1 1 36 36 ILE HG22 H 1 0.600 0.004 . . . . . . . . . . . 6370 1 199 . 1 1 36 36 ILE HG23 H 1 0.600 0.004 . . . . . . . . . . . 6370 1 200 . 1 1 36 36 ILE HG12 H 1 0.846 0.004 . . . . . . . . . . . 6370 1 201 . 1 1 36 36 ILE HG13 H 1 1.189 0.002 . . . . . . . . . . . 6370 1 202 . 1 1 36 36 ILE HD11 H 1 0.323 0.002 . . . . . . . . . . . 6370 1 203 . 1 1 36 36 ILE HD12 H 1 0.323 0.002 . . . . . . . . . . . 6370 1 204 . 1 1 36 36 ILE HD13 H 1 0.323 0.002 . . . . . . . . . . . 6370 1 205 . 1 1 37 37 CYS H H 1 9.007 0.000 . . . . . . . . . . . 6370 1 206 . 1 1 37 37 CYS HA H 1 5.038 0.000 . . . . . . . . . . . 6370 1 207 . 1 1 37 37 CYS HB2 H 1 2.014 0.000 . . . . . . . . . . . 6370 1 208 . 1 1 37 37 CYS HB3 H 1 3.242 0.000 . . . . . . . . . . . 6370 1 209 . 1 1 38 38 CYS H H 1 8.571 0.001 . . . . . . . . . . . 6370 1 210 . 1 1 38 38 CYS HA H 1 4.408 0.002 . . . . . . . . . . . 6370 1 211 . 1 1 38 38 CYS HB2 H 1 1.063 0.000 . . . . . . . . . . . 6370 1 212 . 1 1 38 38 CYS HB3 H 1 1.869 0.003 . . . . . . . . . . . 6370 1 213 . 1 1 39 39 TYR H H 1 7.716 0.000 . . . . . . . . . . . 6370 1 214 . 1 1 39 39 TYR HA H 1 4.777 0.001 . . . . . . . . . . . 6370 1 215 . 1 1 39 39 TYR HB2 H 1 2.288 0.000 . . . . . . . . . . . 6370 1 216 . 1 1 39 39 TYR HB3 H 1 2.830 0.002 . . . . . . . . . . . 6370 1 217 . 1 1 39 39 TYR HD1 H 1 6.312 0.001 . . . . . . . . . . . 6370 1 218 . 1 1 39 39 TYR HE1 H 1 6.363 0.001 . . . . . . . . . . . 6370 1 219 . 1 1 40 40 PRO HA H 1 4.930 0.003 . . . . . . . . . . . 6370 1 220 . 1 1 40 40 PRO HB2 H 1 2.069 0.000 . . . . . . . . . . . 6370 1 221 . 1 1 40 40 PRO HB3 H 1 2.399 0.000 . . . . . . . . . . . 6370 1 222 . 1 1 40 40 PRO HG2 H 1 1.722 0.000 . . . . . . . . . . . 6370 1 223 . 1 1 40 40 PRO HG3 H 1 1.831 0.001 . . . . . . . . . . . 6370 1 224 . 1 1 40 40 PRO HD2 H 1 3.934 0.000 . . . . . . . . . . . 6370 1 225 . 1 1 41 41 VAL H H 1 8.266 0.000 . . . . . . . . . . . 6370 1 226 . 1 1 41 41 VAL HA H 1 3.812 0.001 . . . . . . . . . . . 6370 1 227 . 1 1 41 41 VAL HB H 1 1.850 0.000 . . . . . . . . . . . 6370 1 228 . 1 1 41 41 VAL HG11 H 1 0.707 0.001 . . . . . . . . . . . 6370 1 229 . 1 1 41 41 VAL HG12 H 1 0.707 0.001 . . . . . . . . . . . 6370 1 230 . 1 1 41 41 VAL HG13 H 1 0.707 0.001 . . . . . . . . . . . 6370 1 231 . 1 1 41 41 VAL HG21 H 1 0.760 0.000 . . . . . . . . . . . 6370 1 232 . 1 1 41 41 VAL HG22 H 1 0.760 0.000 . . . . . . . . . . . 6370 1 233 . 1 1 41 41 VAL HG23 H 1 0.760 0.000 . . . . . . . . . . . 6370 1 234 . 1 1 42 42 ASP H H 1 8.034 0.000 . . . . . . . . . . . 6370 1 235 . 1 1 42 42 ASP HA H 1 4.377 0.000 . . . . . . . . . . . 6370 1 236 . 1 1 42 42 ASP HB2 H 1 2.610 0.000 . . . . . . . . . . . 6370 1 stop_ save_